(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide

C17H17F3N2O5S — CID 53247214

IUPAC(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide
SMILESC[C@@](CCn1ccc(-c2ccc(F)c(F)c2F)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H17F3N2O5S/c1-17(16(24)21-25,28(2,26)27)6-8-22-7-5-10(9-13(22)23)11-3-4-12(18)15(20)14(11)19/h3-5,7,9,25H,6,8H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyVIZDLJJVSWKHAS-QGZVFWFLSA-N
MW418.39 g/mol
LogP1.63
Rot. Bonds6

About (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide (PubChem CID 53247214) has the molecular formula C17H17F3N2O5S and a molecular weight of 418.39 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide
PubChem CID53247214
Molecular FormulaC17H17F3N2O5S
Molecular Weight418.39 g/mol
Exact Mass418.08
IUPAC Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide
SMILESC[C@@](CCn1ccc(-c2ccc(F)c(F)c2F)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H17F3N2O5S/c1-17(16(24)21-25,28(2,26)27)6-8-22-7-5-10(9-13(22)23)11-3-4-12(18)15(20)14(11)19/h3-5,7,9,25H,6,8H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyVIZDLJJVSWKHAS-QGZVFWFLSA-N
XLogP1.63
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2r)-N-Hydroxy-2-Methyl-2-(Methylsulfonyl)-4-(2-Oxo-4-Phenylpyridin-1(2h)-Yl)butanamide
CID 56593152
(2R)-4-[4-(4-chloro-2,3-difluorophenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 53247213
(2R)-4-[4-(4-chloro-2-fluorophenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 57325690
N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenyl-1-pyridinyl)butanamide
CID 76370542
(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-[2-oxo-4-(2-phenylethyl)pyridin-1(2H)-yl]butanamide
CID 57326597
(2R)-4-(3-Fluoro-2-oxo-4-phenylpyridin-1(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 57326693
(2R)-4-(5-fluoro-2-oxo-4-phenylpyridin-1(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 57326694
(R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-(phenylethynyl) pyridin-1(2H)-yl)butanamide
CID 57326985
(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[(E)-2-phenylvinyl]pyridin-1(2H)-yl}butanamide
CID 57326986
(2R)-4-[4-(2-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 57326987
(2R)-4-[4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 57326988
(2R)-4-[4-(4-fluorophenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 57326989

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide (CID 53247214) is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide is C[C@@](CCn1ccc(-c2ccc(F)c(F)c2F)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide?
The InChIKey is VIZDLJJVSWKHAS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17F3N2O5S/c1-17(16(24)21-25,28(2,26)27)6-8-22-7-5-10(9-13(22)23)11-3-4-12(18)15(20)14(11)19/h3-5,7,9,25H,6,8H2,1-2H3,(H,21,24)/t17-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide?
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide has a molecular weight of 418.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,4-trifluorophenyl)-1-pyridinyl]butanamide is sourced from PubChem (CID 53247214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).